Molecule

ID:58265

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO
Molecular Mass
195.6455
Exact Mass
195.04509163
Charge
0
InChI
InChI=1S/C10H10ClNO/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h3-6H,1-2,7H2
InChIKey
NAIVIVMHCDWBEF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)N1CCCC1=O
Isomeric Smiles
N1(C(=O)CCC1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9060699
LogD (pH = 7.4)
1.9060699
Log P
1.9060699
Molar Refractivity
51.737
Polarizability
20.03122
Polar Surface Area
20.31
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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